smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1	ZINC000020918571	570284944	/nfs/dbraw/zinc/28/49/44/570284944.db2.gz	OJECQTWICQJBSV-JOCHJYFZSA-N	2	1	399.623	4.335	50	10		GICAMP
CCCN(CCC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1	ZINC000004887882	570356345	/nfs/dbraw/zinc/35/63/45/570356345.db2.gz	LNHRJOPZBRGQKS-FQEVSTJZSA-N	2	1	398.576	4.217	50	10		GICAMP
CCCN(CCC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1	ZINC000004887882	570356347	/nfs/dbraw/zinc/35/63/47/570356347.db2.gz	LNHRJOPZBRGQKS-FQEVSTJZSA-N	2	1	398.576	4.217	50	10		GICAMP
Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524731200	570765994	/nfs/dbraw/zinc/76/59/94/570765994.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	2	1	398.547	4.120	50	10		GICAMP
CCc1cc(=O)oc2c(C)c([O-])c(C[NH+](C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc12	ZINC000524730568	570765104	/nfs/dbraw/zinc/76/51/04/570765104.db2.gz	NMRPWGZCNJVZND-GHTZIAJQSA-N	2	1	398.547	4.066	50	10		GICAMP
CCc1cc(=O)oc2c(C)c([O-])c(C[NH+](C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc12	ZINC000524730568	570765109	/nfs/dbraw/zinc/76/51/09/570765109.db2.gz	NMRPWGZCNJVZND-GHTZIAJQSA-N	2	1	398.547	4.066	50	10		GICAMP
CCc1cc(=O)oc2c(C)c(O)c(C[N@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524730568	570765113	/nfs/dbraw/zinc/76/51/13/570765113.db2.gz	NMRPWGZCNJVZND-GHTZIAJQSA-N	2	1	398.547	4.066	50	10		GICAMP
CCc1cc(=O)oc2c(C)c(O)c(C[N@@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524730568	570765115	/nfs/dbraw/zinc/76/51/15/570765115.db2.gz	NMRPWGZCNJVZND-GHTZIAJQSA-N	2	1	398.547	4.066	50	10		GICAMP
COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)c1O	ZINC000012210602	818146609	/nfs/dbraw/zinc/14/66/09/818146609.db2.gz	ILNFSIQPUIQDRS-HXUWFJFHSA-N	2	1	382.548	4.096	50	10		GICAMP
COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c1O	ZINC000012210602	818146612	/nfs/dbraw/zinc/14/66/12/818146612.db2.gz	ILNFSIQPUIQDRS-HXUWFJFHSA-N	2	1	382.548	4.096	50	10		GICAMP
COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1O	ZINC000012210602	818146615	/nfs/dbraw/zinc/14/66/15/818146615.db2.gz	ILNFSIQPUIQDRS-HXUWFJFHSA-N	2	1	382.548	4.096	50	10		GICAMP
CC[N@H+](Cc1c(O)cccc1OC)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000039393501	570590894	/nfs/dbraw/zinc/59/08/94/570590894.db2.gz	BNGFVOISQWDVFW-UHFFFAOYSA-N	2	1	396.575	4.486	50	10		GICAMP
COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)c1O	ZINC000012210599	818146723	/nfs/dbraw/zinc/14/67/23/818146723.db2.gz	ILNFSIQPUIQDRS-FQEVSTJZSA-N	2	1	382.548	4.096	50	10		GICAMP
COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c1O	ZINC000012210599	818146725	/nfs/dbraw/zinc/14/67/25/818146725.db2.gz	ILNFSIQPUIQDRS-FQEVSTJZSA-N	2	1	382.548	4.096	50	10		GICAMP
COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1O	ZINC000012210599	818146729	/nfs/dbraw/zinc/14/67/29/818146729.db2.gz	ILNFSIQPUIQDRS-FQEVSTJZSA-N	2	1	382.548	4.096	50	10		GICAMP
CC[N@H+](Cc1cc(OC)ccc1O)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012576530	570875182	/nfs/dbraw/zinc/87/51/82/570875182.db2.gz	BOMCOIOSNKPSSY-UHFFFAOYSA-N	2	1	396.575	4.486	50	10		GICAMP
Oc1ccccc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	ZINC000020918565	210368928	/nfs/dbraw/zinc/36/89/28/210368928.db2.gz	OJECQTWICQJBSV-QFIPXVFZSA-N	2	1	399.623	4.335	50	10		GICAMP
Oc1ccccc1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012308300	221179454	/nfs/dbraw/zinc/17/94/54/221179454.db2.gz	KHIQJXOQEZHDAZ-UHFFFAOYSA-N	2	1	379.548	4.444	50	10		GICAMP